5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide

C14H12BrCl2NOS — CID 63526168

IUPAC5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H12BrCl2NOS/c1-8(11-4-3-10(16)6-12(11)17)18(2)14(19)9-5-13(15)20-7-9/h3-8H,1-2H3
InChIKeyXNBKNARJINKXRE-UHFFFAOYSA-N
MW393.13 g/mol
LogP5.65
Rot. Bonds3

About 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 63526168) has the molecular formula C14H12BrCl2NOS and a molecular weight of 393.13 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
PubChem CID63526168
Molecular FormulaC14H12BrCl2NOS
Molecular Weight393.13 g/mol
Exact Mass390.92
IUPAC Name5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H12BrCl2NOS/c1-8(11-4-3-10(16)6-12(11)17)18(2)14(19)9-5-13(15)20-7-9/h3-8H,1-2H3
InChIKeyXNBKNARJINKXRE-UHFFFAOYSA-N
XLogP5.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.13
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 107962168
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 46588572
5-cyclopropyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 37493820
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide (CID 63526168) is 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is XNBKNARJINKXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NOS/c1-8(11-4-3-10(16)6-12(11)17)18(2)14(19)9-5-13(15)20-7-9/h3-8H,1-2H3.
What are the key properties of 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 393.13 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 63526168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).